2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide

C16H25N3O4S — CID 120794168

IUPAC2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)C(N)C2CCOCC2)c1
InChIInChI=1S/C16H25N3O4S/c1-2-10-24(21,22)19-14-5-3-4-13(11-14)18-16(20)15(17)12-6-8-23-9-7-12/h3-5,11-12,15,19H,2,6-10,17H2,1H3,(H,18,20)
InChIKeyAIXMQPNXPHHXJZ-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.53
Rot. Bonds7

About 2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide

2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide (PubChem CID 120794168) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide
PubChem CID120794168
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)C(N)C2CCOCC2)c1
InChIInChI=1S/C16H25N3O4S/c1-2-10-24(21,22)19-14-5-3-4-13(11-14)18-16(20)15(17)12-6-8-23-9-7-12/h3-5,11-12,15,19H,2,6-10,17H2,1H3,(H,18,20)
InChIKeyAIXMQPNXPHHXJZ-UHFFFAOYSA-N
XLogP1.53
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786313
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783163
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
CID 120786651
2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120789988
(2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide
CID 119794996
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788893
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
(2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide;hydrochloride
CID 119794995
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801639

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide (CID 120794168) is 2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide is CCCS(=O)(=O)Nc1cccc(NC(=O)C(N)C2CCOCC2)c1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide?
The InChIKey is AIXMQPNXPHHXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-2-10-24(21,22)19-14-5-3-4-13(11-14)18-16(20)15(17)12-6-8-23-9-7-12/h3-5,11-12,15,19H,2,6-10,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide?
2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 120794168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).